1-(3-fluorophenyl)-2-pyridazin-3-ylethanone

C12H9FN2O — CID 116832978

IUPAC1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1cccc(F)c1
InChIInChI=1S/C12H9FN2O/c13-10-4-1-3-9(7-10)12(16)8-11-5-2-6-14-15-11/h1-7H,8H2
InChIKeyVPDNHYLJGCVESV-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone

1-(3-fluorophenyl)-2-pyridazin-3-ylethanone (PubChem CID 116832978) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
PubChem CID116832978
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1cccc(F)c1
InChIInChI=1S/C12H9FN2O/c13-10-4-1-3-9(7-10)12(16)8-11-5-2-6-14-15-11/h1-7H,8H2
InChIKeyVPDNHYLJGCVESV-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
1-(2,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 18956540
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
CID 116575762
2-(2,3-dichloro-4-pyridinyl)-1-(3-fluorophenyl)ethanone
CID 57178759
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
CID 90371133
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
1-(3-fluorophenyl)-2-isocyanoethanone
CID 58318646
2-[4-(aminomethyl)triazol-1-yl]-1-(3-fluorophenyl)ethanone
CID 116599827

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone (CID 116832978) is 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone is O=C(Cc1cccnn1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone?
The InChIKey is VPDNHYLJGCVESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-10-4-1-3-9(7-10)12(16)8-11-5-2-6-14-15-11/h1-7H,8H2.
What are the key properties of 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone?
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone has a molecular weight of 216.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-pyridazin-3-ylethanone is sourced from PubChem (CID 116832978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).